Crystallography Open Database

Information card for entry 7049531

Preview

Coordinates	7049531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C181 B6 O9 U2
Calculated formula	C181 B6 O9 U2
Title of publication	Applications of boroxide ligands in supporting small molecule activation by U(iii) and U(iv) complexes.
Authors of publication	Arnold, Polly L.; Puig-Urrea, Laura; Wells, Jordann A. L.; Yuan, Dan; Cruickshank, Faye L.; Young, Rowan D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	15
Pages of publication	4894 - 4905
a	15.9113 ± 0.0005 Å
b	16.1748 ± 0.0007 Å
c	36.3982 ± 0.001 Å
α	89.191 ± 0.003°
β	89.908 ± 0.002°
γ	66.724 ± 0.003°
Cell volume	8604.2 ± 0.6 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.189
Residual factor for significantly intense reflections	0.1161
Weighted residual factors for significantly intense reflections	0.2673
Weighted residual factors for all reflections included in the refinement	0.319
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
224395 (current)	2019-11-08	cif/ Updating files of 7049530, 7049531, 7049532, 7049533, 7049534, 7049535, 7049536, 7049537, 7049538, 7049539 Original log message: Adding full bibliography for 7049530--7049539.cif.	7049531.cif
214420	2019-03-30	cif/ Adding structures of 7049530, 7049531, 7049532, 7049533, 7049534, 7049535, 7049536, 7049537, 7049538, 7049539 via cif-deposit CGI script.	7049531.cif